Molecule
ID:121312
General Information
Molecular Formula
C₁₂H₁₀FN₃O₃
Molecular Mass
263.2245032
Exact Mass
263.07061942
Charge
0
InChI
InChI=1S/C12H10FN3O3/c13-7-2-1-3-8-10(7)11(15-14-8)16-5-6(12(18)19)4-9(16)17/h1-3,6H,4-5H2,(H,14,15)(H,18,19)
InChIKey
ZPIDVNTZFXKGIN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)c1n[nH]c2c1c(F)ccc2
Isomeric Smiles
c1(N2C(=O)CC(C2)C(=O)O)n[nH]c2c1c(F)ccc2
Calculated Properties
JChem
Acid pKa
3.8338056
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.9287643
LogD (pH = 7.4)
-2.505687
Log P
0.74089855
Molar Refractivity
63.5631
Polarizability
24.597603
Polar Surface Area
86.29
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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